3-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N,N-dimethyl-benzamide

Systemtic Name: 3-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N,N-dimethyl-benzamide Openeye Name: 3-[(4-butoxybenzoyl)carbamothioylamino]-N,N-dimethyl-benzamide CAS Name: 3-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N,N-dimethylbenzamide IUPAC Name: 3-[(4-butoxybenzoyl)carbamothioylamino]-N,N-dimethylbenzamide Traditional Name: 3-[(4-butoxybenzoyl)thiocarbamoylamino]-N,N-dimethyl-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)C

InChI

InChI=1S/C21H25N3O3S/c1-4-5-13-27-18-11-9-15(10-12-18)19(25)23-21(28)22-17-8-6-7-16(14-17)20(26)24(2)3/h6-12,14H,4-5,13H2,1-3H3,(H2,22,23,25,28)